SCHEMBL29636698

SCHEMBL29636698

CN1CCN(c2ccc(-c3cc(NCCC(C)(C)N)c4ccccc4n3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 11/20 0.53
SMARCA2 P51531 1/20 0.52
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
XBP1 P17861 1/20 0.49
RAB9A P51151 1/20 0.49
KLF5 Q13887 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TLR9 Q9NR96 1/20 0.48
SLC2A1 P11166 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29636742 0.90 ACP1 (0.50) ACP1SMARCA2SLC2A1
SCHEMBL23015126 0.90 ACP1 (0.50) ACP1SMARCA2SLC2A1
SCHEMBL16098534 0.84 SLC2A1 (0.65) ACP1SMARCA2KDM4ESLC2A1
SCHEMBL6749969 0.84 SLC2A1 (0.70) ACP1SMARCA2ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL16102182 0.83 SLC2A1 (0.67) ACP1SMARCA2KDM4ESLC2A1
Hydrochloric Acid SCHEMBL16097746 0.83 SLC2A1 (0.67) ACP1SMARCA2KDM4ESLC2A1
SCHEMBL6751610 0.82 SLC2A1 (0.61) ACP1SMARCA2KDM4ENPC1MAPT
SCHEMBL6748821 0.82 SLC2A1 (0.60) ACP1SMARCA2KDM4ENPC1MAPT
SCHEMBL15521729 0.81 ADRA2A (0.75) ACP1ADRA2AADRA2BADRA2CKDM4E
SCHEMBL29636750 0.81 ACP1 (0.48) ACP1SMARCA2SLC2A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4017492-A1 MOLECULES THAT BIND TO TDP-43 FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS AND RELATED DISORDERS Biohaven Therapeutics Ltd. (US) 2022-06-29 EP claimed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed